2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
TL;DR: 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CAS 697239-21-7) is a chemical compound with molecular formula C19H18BrNO4 and molecular weight 403.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Also Known As: 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide, A3633/0154137, 2-BROMO-N~1~-(7-BUTYRYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)BENZAMIDE
| Molecular Formula | C19H18BrNO4 |
|---|---|
| Molecular Weight | 403.04 g/mol |
| LogP | 4.4554 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.04193 |
| Heavy Atoms | 25 |
| Complexity | 819.0665 |
Chemical Identifiers
| CAS Number | 697239-21-7 |
|---|---|
| SMILES | CCCC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=CC=C3Br)OCCO2 |
Product Overview
2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CAS 697239-21-7), with molecular formula C19H18BrNO4 and molecular weight 403.04 g/mol. IUPAC: 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
Chemical Property Profile of 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Property Insights of 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
The XLogP value of 4.4554 indicates that 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide. Following Lipinski's Rule of Five, 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The CAS number of 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is 697239-21-7.
What is the molecular formula of 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The molecular formula of 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is C19H18BrNO4.
What is the molecular weight of 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The molecular weight of 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is 403.04 g/mol.
Where can I buy 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
You can request a quote for 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.